element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
Sim_LAMMPS_Buckingham_FisherMatsubara_2005_NiO__SM_337243826931_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:24:50     -150.697103        10.873926
BFGS:    1 15:24:50     -148.836637        10.116577
BFGS:    2 15:24:50     -147.021543         9.409819
BFGS:    3 15:24:50     -145.250173         8.749882
BFGS:    4 15:24:51     -143.521000         8.133298
BFGS:    5 15:24:51     -141.832507         7.556909
BFGS:    6 15:24:51     -140.183286         7.017799
BFGS:    7 15:24:51     -138.572189         6.512864
BFGS:    8 15:24:51     -136.997456         6.040608
BFGS:    9 15:24:51     -135.458137         5.598207
BFGS:   10 15:24:51     -133.953014         5.183594
BFGS:   11 15:24:51     -132.480967         4.794848
BFGS:   12 15:24:51     -131.040918         4.430197
BFGS:   13 15:24:51     -129.631852         4.088001
BFGS:   14 15:24:51     -128.252770         3.766750
BFGS:   15 15:24:51     -126.902729         3.465045
BFGS:   16 15:24:51     -125.580851         3.181582
BFGS:   17 15:24:51     -124.286350         2.914885
BFGS:   18 15:24:51     -123.018077         2.664499
BFGS:   19 15:24:51     -121.775448         2.429009
BFGS:   20 15:24:51     -120.557653         2.207477
BFGS:   21 15:24:51     -119.363977         1.999008
BFGS:   22 15:24:51     -118.193747         1.802764
BFGS:   23 15:24:51     -117.046192         1.618013
BFGS:   24 15:24:51     -115.920735         1.444012
BFGS:   25 15:24:51     -114.816720         1.280108
BFGS:   26 15:24:51     -113.733641         0.644753
BFGS:   27 15:24:51     -112.670706         0.507561
BFGS:   28 15:24:51     -111.627358         0.756686
BFGS:   29 15:24:51     -110.603246         0.629406
BFGS:   30 15:24:51     -109.597755         0.509487
BFGS:   31 15:24:51     -108.610497         0.036868
BFGS:   32 15:24:51     -108.534051         0.468222
BFGS:   33 15:24:51     -108.451554         0.020096
BFGS:   34 15:24:51     -108.447850         0.019706
BFGS:   35 15:24:51     -108.260924         0.000148
BFGS:   36 15:24:51     -108.259513         0.000001
BFGS:   37 15:24:51     -108.259504         0.000000
BFGS:   38 15:24:51     -108.259504         0.000000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.026398923225419e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.47435676e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.878676180751566, -2.4051131932338677e-32, 3.2477425209217847e-34], [-2.4516133168910718e-32, 4.878676180751567, -1.759700238392284e-17], [-9.915418474430116e-34, -1.7597002383922836e-17, 4.878676180751567]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.02639892e-10 -4.02639892e-10 -4.02639892e-10 -5.15305619e-28
  7.55219641e-35 -3.26299498e-52]
energy per atom =  -27.064875926480344
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0